(E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]acrylonitrile Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3/c1-16(2)27-17(3)13-19(18(27)4)14-20(15-24)23(29)26-11-9-25(10-12-26)21-5-7-22(8-6-21)28(30)31/h5-8,13-14,16H,9-12H2,1-4H3/b20-14+